2-(4-methylthiophen-2-yl)-1-[3-(pyrrolidin-1-ylmethyl)morpholin-4-yl]ethanone

C16H24N2O2S — CID 18915066

IUPAC2-(4-methylthiophen-2-yl)-1-[3-(pyrrolidin-1-ylmethyl)morpholin-4-yl]ethanone
SMILESCc1csc(CC(=O)N2CCOCC2CN2CCCC2)c1
InChIInChI=1S/C16H24N2O2S/c1-13-8-15(21-12-13)9-16(19)18-6-7-20-11-14(18)10-17-4-2-3-5-17/h8,12,14H,2-7,9-11H2,1H3
InChIKeyIAZDWPGXHXJEOA-UHFFFAOYSA-N
MW308.45 g/mol
LogP1.92
Rot. Bonds4

About 2-(4-methylthiophen-2-yl)-1-[3-(pyrrolidin-1-ylmethyl)morpholin-4-yl]ethanone

2-(4-methylthiophen-2-yl)-1-[3-(pyrrolidin-1-ylmethyl)morpholin-4-yl]ethanone (PubChem CID 18915066) has the molecular formula C16H24N2O2S and a molecular weight of 308.45 g/mol. Its IUPAC name is 2-(4-methylthiophen-2-yl)-1-[3-(pyrrolidin-1-ylmethyl)morpholin-4-yl]ethanone.

Molecular Properties

Compound Name2-(4-methylthiophen-2-yl)-1-[3-(pyrrolidin-1-ylmethyl)morpholin-4-yl]ethanone
PubChem CID18915066
Molecular FormulaC16H24N2O2S
Molecular Weight308.45 g/mol
Exact Mass308.16
IUPAC Name2-(4-methylthiophen-2-yl)-1-[3-(pyrrolidin-1-ylmethyl)morpholin-4-yl]ethanone
SMILESCc1csc(CC(=O)N2CCOCC2CN2CCCC2)c1
InChIInChI=1S/C16H24N2O2S/c1-13-8-15(21-12-13)9-16(19)18-6-7-20-11-14(18)10-17-4-2-3-5-17/h8,12,14H,2-7,9-11H2,1H3
InChIKeyIAZDWPGXHXJEOA-UHFFFAOYSA-N
XLogP1.92
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.45
LogP ≤ 51.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methylthiophen-2-yl)-1-[3-(pyrrolidin-1-ylmethyl)morpholin-4-yl]ethanone?
The IUPAC name of 2-(4-methylthiophen-2-yl)-1-[3-(pyrrolidin-1-ylmethyl)morpholin-4-yl]ethanone (CID 18915066) is 2-(4-methylthiophen-2-yl)-1-[3-(pyrrolidin-1-ylmethyl)morpholin-4-yl]ethanone.
What is the SMILES notation for 2-(4-methylthiophen-2-yl)-1-[3-(pyrrolidin-1-ylmethyl)morpholin-4-yl]ethanone?
The canonical SMILES for 2-(4-methylthiophen-2-yl)-1-[3-(pyrrolidin-1-ylmethyl)morpholin-4-yl]ethanone is Cc1csc(CC(=O)N2CCOCC2CN2CCCC2)c1.
What is the InChIKey of 2-(4-methylthiophen-2-yl)-1-[3-(pyrrolidin-1-ylmethyl)morpholin-4-yl]ethanone?
The InChIKey is IAZDWPGXHXJEOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2S/c1-13-8-15(21-12-13)9-16(19)18-6-7-20-11-14(18)10-17-4-2-3-5-17/h8,12,14H,2-7,9-11H2,1H3.
What are the key properties of 2-(4-methylthiophen-2-yl)-1-[3-(pyrrolidin-1-ylmethyl)morpholin-4-yl]ethanone?
2-(4-methylthiophen-2-yl)-1-[3-(pyrrolidin-1-ylmethyl)morpholin-4-yl]ethanone has a molecular weight of 308.45 g/mol, XLogP of 1.92, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylthiophen-2-yl)-1-[3-(pyrrolidin-1-ylmethyl)morpholin-4-yl]ethanone is sourced from PubChem (CID 18915066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).